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Compound Detail

CHEMBL356169

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COc1ccc2ncn(-c3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL356169
Phase Preclinical
Structure Type MOL
InChI Key DBDPQMUWFPDEFP-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
3.03
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O
MW 224.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.26

Activity Summary

IC50 5 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.52 5.52 2991.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.23 5.23 5946.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.19 5.19 6400.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 5.09 5.09 8162.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 4.46 4.46 34880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor beta 1
9876115 10.1021/jm9804681 Fibroblast growth factor receptor 1 1
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine